SCHEMBL6944856

SCHEMBL6944856

Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4cccc(CC#N)c4)CC3)cc2)c1-c1ccc(C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.45
ABCB1 P08183 3/20 0.42
CYP3A4 P08684 2/20 0.42
CREBBP Q92793 1/20 0.41
PANK3 Q9H999 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
MT-CO2 P00403 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6706780 0.78 PANK3 (0.49) MAPTMAPK1SMN1; SMN2LMNAPANK3
SCHEMBL7258378 0.76 MAPT (0.54) MAPTMAPK1TSHRSMN1; SMN2ABCB1
SCHEMBL7256859 0.75 MAPT (0.47) MAPTMAPK1TSHRSMN1; SMN2LMNA
SCHEMBL6698918 0.74 MAPT (0.53) MAPTMAPK1TSHRSMN1; SMN2LMNA
SCHEMBL7253740 0.73 MT-CO2 (0.55) MAPTMAPK1TSHRSMN1; SMN2LMNA
SCHEMBL7253800 0.72 ALDH1A1 (0.45) MAPTMAPK1TSHRSMN1; SMN2LMNA
SCHEMBL7253746 0.72 ALDH1A1 (0.45) MAPTMAPK1TSHRSMN1; SMN2LMNA
SCHEMBL12157622 0.72 NPY2R (0.49) MAPTMAPK1SMN1; SMN2LMNANPC1
SCHEMBL7253240 0.71 NR4A1 (0.44) MAPTMAPK1TSHRSMN1; SMN2LMNA
SCHEMBL6648002 0.69 MAPT (0.55) MAPTMAPK1TSHRSMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289971-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 AND MTP INHIBITORS GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
WO-2001092241-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 AND MTP INHIBITORS GLAXO GROUP LIMITED (GB) 2001-12-06 WO disclosed